(2S,4S,5S)-1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(2-methylpropyl)-5-propan-2-yl-4-pyrazin-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4S,5S)-1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(2-methylpropyl)-5-propan-2-yl-4-pyrazin-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S,5S)-1-(4-tert-butyl-3-methoxy-benzoyl)-2-isobutyl-5-isopropyl-4-pyrazin-2-yl-pyrrolidine-2-carboxylic acid CAS Name: (2S,4S,5S)-1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-2-(2-methylpropyl)-5-propan-2-yl-4-(2-pyrazinyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S,5S)-1-(4-tert-butyl-3-methoxybenzoyl)-2-(2-methylpropyl)-5-propan-2-yl-4-pyrazin-2-ylpyrrolidine-2-carboxylic acid Traditional Name: (2S,4S,5S)-1-(4-tert-butyl-3-methoxy-benzoyl)-2-isobutyl-5-isopropyl-4-pyrazin-2-yl-proline Formula: C28H39N3O4 MolecularWeight: 481.62696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(CC(C(N1C(=O)C2=CC(=C(C=C2)C(C)(C)C)OC)C(C)C)C3=NC=CN=C3)C(=O)O

Isomeric SMILES

CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)C2=CC(=C(C=C2)C(C)(C)C)OC)C(C)C)C3=NC=CN=C3)C(=O)O

InChI

InChI=1S/C28H39N3O4/c1-17(2)14-28(26(33)34)15-20(22-16-29-11-12-30-22)24(18(3)4)31(28)25(32)19-9-10-21(27(5,6)7)23(13-19)35-8/h9-13,16-18,20,24H,14-15H2,1-8H3,(H,33,34)/t20-,24+,28+/m1/s1